Methyl 2-bromohexanoate - CAS 5445-19-2
Catalog: |
BB028667 |
Product Name: |
Methyl 2-bromohexanoate |
CAS: |
5445-19-2 |
Synonyms: |
Hexanoic acid, 2-bromo-, methyl ester; (±)-Methyl 2-bromohexanoate; 2-Bromohexanoic acid methyl ester; Methyl (±)-2-bromocaproate; Methyl 2-bromocaproate; Methyl α-bromocaproate; NSC 21976 |
Related CAS: | 70288-61-8 (Deleted CAS)
|
IUPAC Name: | methyl 2-bromohexanoate |
Molecular Weight: | 209.08 |
Molecular Formula: | C7H13BrO2 |
Canonical SMILES: | CCCCC(C(=O)OC)Br |
InChI: | InChI=1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3 |
InChI Key: | YGLPDRIMFIXNBI-UHFFFAOYSA-N |
Boiling Point: | 86°C at 12 Torr |
Purity: | 95% |
Density: | 1.2734 g/cm3 |
Appearance: | Clear, colourless liquid |
MDL: | MFCD00045038 |
LogP: | 2.11310 |
GHS Hazard Statement: | H314 (88.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P362, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-202102492-A | Heterocyclic compounds and fungicides for agriculture and horticulture | 20190315 |
CN-113518777-A | Heterocyclic compound and agricultural and horticultural bactericide | 20190315 |
JP-2020147545-A | Oxadiazole compounds and fungicides for agriculture and horticulture | 20190315 |
JP-2020086083-A | Photo-acid generator and resin composition for photolithography | 20181122 |
WO-2020105364-A1 | Photo-acid generator and resin composition for photolithography | 20181122 |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.00989 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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